[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] (E)-3-thiophen-3-ylprop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] (E)-3-thiophen-3-ylprop-2-enoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] (E)-3-(3-thienyl)prop-2-enoate CAS Name: (E)-3-(3-thiophenyl)-2-propenoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] (E)-3-thiophen-3-ylprop-2-enoate Traditional Name: (E)-3-(3-thienyl)acrylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C18H19NO3S2 MolecularWeight: 361.47836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C=CC2=CSC=C2

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)/C=C/C2=CSC=C2

InChI

InChI=1S/C18H19NO3S2/c20-17(13-22-18(21)8-7-15-9-12-23-14-15)19-10-4-11-24-16-5-2-1-3-6-16/h1-3,5-9,12,14H,4,10-11,13H2,(H,19,20)/b8-7+